UCSF

ZINC03964354

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2005 38 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.84 -0.25 -48.39 3 7 1 88 522.71 13

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )